2-[2-(4-fluoroanilino)-2-oxoethyl]sulfonyl-N-[(4-methoxyphenyl)methyl]acetamide

C18H19FN2O5S — CID 39083637

IUPAC2-[2-(4-fluoroanilino)-2-oxoethyl]sulfonyl-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CS(=O)(=O)CC(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C18H19FN2O5S/c1-26-16-8-2-13(3-9-16)10-20-17(22)11-27(24,25)12-18(23)21-15-6-4-14(19)5-7-15/h2-9H,10-12H2,1H3,(H,20,22)(H,21,23)
InChIKeyPABRCHPTMIGMFU-UHFFFAOYSA-N
MW394.42 g/mol
LogP1.50
Rot. Bonds8

About 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfonyl-N-[(4-methoxyphenyl)methyl]acetamide

2-[2-(4-fluoroanilino)-2-oxoethyl]sulfonyl-N-[(4-methoxyphenyl)methyl]acetamide (PubChem CID 39083637) has the molecular formula C18H19FN2O5S and a molecular weight of 394.42 g/mol. Its IUPAC name is 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfonyl-N-[(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[2-(4-fluoroanilino)-2-oxoethyl]sulfonyl-N-[(4-methoxyphenyl)methyl]acetamide
PubChem CID39083637
Molecular FormulaC18H19FN2O5S
Molecular Weight394.42 g/mol
Exact Mass394.10
IUPAC Name2-[2-(4-fluoroanilino)-2-oxoethyl]sulfonyl-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CS(=O)(=O)CC(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C18H19FN2O5S/c1-26-16-8-2-13(3-9-16)10-20-17(22)11-27(24,25)12-18(23)21-15-6-4-14(19)5-7-15/h2-9H,10-12H2,1H3,(H,20,22)(H,21,23)
InChIKeyPABRCHPTMIGMFU-UHFFFAOYSA-N
XLogP1.50
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.42
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfonylacetamide
CID 39083624
N-[(4-fluorophenyl)methyl]-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetamide
CID 9222928
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 9222927
2-[2-(4-methylanilino)-2-oxoethyl]sulfonyl-N-[(4-methylphenyl)methyl]acetamide
CID 39083709
2-[(4-fluorophenyl)methylamino]-N-[2-(4-methoxyanilino)-2-oxoethyl]acetamide
CID 24718593
N-[(4-fluorophenyl)methyl]-4-[(4-methoxybenzoyl)amino]benzamide
CID 87005885
N-[(4-fluorophenyl)methyl]-2-propylsulfonylacetamide
CID 47207572
N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfonylacetamide
CID 39083640
N-[2-(4-fluorophenyl)ethyl]-N'-(4-methoxyphenyl)propanediamide
CID 108948446
N'-(4-bromophenyl)-N-[(4-methoxyphenyl)methyl]propanediamide
CID 108947082
3-[(4-fluorophenyl)methylamino]-N-[(4-methoxyphenyl)methyl]propanamide
CID 109021164
2-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 113150992

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfonyl-N-[(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfonyl-N-[(4-methoxyphenyl)methyl]acetamide (CID 39083637) is 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfonyl-N-[(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfonyl-N-[(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfonyl-N-[(4-methoxyphenyl)methyl]acetamide is COc1ccc(CNC(=O)CS(=O)(=O)CC(=O)Nc2ccc(F)cc2)cc1.
What is the InChIKey of 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfonyl-N-[(4-methoxyphenyl)methyl]acetamide?
The InChIKey is PABRCHPTMIGMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O5S/c1-26-16-8-2-13(3-9-16)10-20-17(22)11-27(24,25)12-18(23)21-15-6-4-14(19)5-7-15/h2-9H,10-12H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfonyl-N-[(4-methoxyphenyl)methyl]acetamide?
2-[2-(4-fluoroanilino)-2-oxoethyl]sulfonyl-N-[(4-methoxyphenyl)methyl]acetamide has a molecular weight of 394.42 g/mol, XLogP of 1.50, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfonyl-N-[(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 39083637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).